N-[(2Z,4E)-1-anilino-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
Formula:C24H20N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(2Z,4E)-1-anilino-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide is not a drug-like molecule.
| MolName | N-[(2Z,4E)-1-anilino-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide |
| MolecularFormula | C24H20N2O2 |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C/C=C/c1ccccc1)Nc1ccccc1 |
| InChI | InChI=1S/C24H20N2O2/c27-23(20-14-6-2-7-15-20)26-22(18-10-13-19-11-4-1-5-12-19)24(28)25-21-16-8-3-9-17-21/h1-18H,(H,25,28)(H,26,27) |
| InChIK | ZTFXEDMPPISASV-UHFFFAOYSA-N |
| TotalMolweight | 368.435 |
| Molweight | 368.435 |
| MonoisotopicMass | 368.152478 |
| CLogP | 5.0804 |
| CLogS | -5.185 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 302.41 |
| Relative PSA | 0.16203 |
| PolarSurfaceArea | 58.2 |
| Druglikeness | 3.1597 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon |
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1 - N-[(2Z,4E)-1-anilino-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide | 2 - N-[(2Z,4E)-1-anilino-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
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